Garib Murshudov wrote:
Have you declared your modified LYS as L-peptide. It should be be done in the beginning like:data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level LYS LYS 'LYSINE ' L-peptide 22 9 .
Garib,Many of the modified lysines in the Refmac dictionary are not marked as L-peptides. Is that something that needs to be fixed in the dictionary?
Paul.
